General Information of the Compound
| Compound ID |
CP0440799
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| Compound Name |
N-[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide
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| Structure |
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| Formula |
C24H29Cl2N3O4S
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| Molecular Weight |
526.486
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| Canonical SMILES |
Cc1c(Cl)ccc(OC2CCN(CC2)C2CCN(CC2)S(=O)(=O)NC(=O)c2ccccc2)c1Cl
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| InChI |
InChI=1S/C24H29Cl2N3O4S/c1-17-21(25)7-8-22(23(17)26)33-20-11-13-28(14-12-20)19-9-15-29(16-10-19)34(31,32)27-24(30)18-5-3-2-4-6-18/h2-8,19-20H,9-16H2,1H3,(H,27,30)
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| InChIKey |
DJGWTFPDOGEBKS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01215, C-C chemokine receptor type 3
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2